N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C26H33N3O5S — CID 123785710

About N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 123785710) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 123785710
• Molecular Formula: C26H33N3O5S
• Molecular Weight: 499.63 g/mol
• Exact Mass: 499.21
• IUPAC Name: N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
• SMILES: CCN(CCC(C)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1)C1CCOCC1
• InChI: InChI=1S/C26H33N3O5S/c1-3-29(22-10-14-33-15-11-22)13-9-19(2)35(31,32)23-6-4-20(5-7-23)17-28-26(30)24-16-21-8-12-27-18-25(21)34-24/h4-8,12,16,18-19,22H,3,9-11,13-15,17H2,1-2H3,(H,28,30)
• InChIKey: VTEFXGMGIQBBGN-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 101.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.63
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 123785710) is N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is CCN(CCC(C)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1)C1CCOCC1.

What is the InChIKey of N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The InChIKey is VTEFXGMGIQBBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-3-29(22-10-14-33-15-11-22)13-9-19(2)35(31,32)23-6-4-20(5-7-23)17-28-26(30)24-16-21-8-12-27-18-25(21)34-24/h4-8,12,16,18-19,22H,3,9-11,13-15,17H2,1-2H3,(H,28,30).

What are the key properties of N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?

N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 499.63 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 123785710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).